N-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]-3-methoxy-N-(phenylmethyl)propanamide

Systemtic Name: N-[3-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)propyl]-3-methoxy-N-(phenylmethyl)propanamide Openeye Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-N-benzyl-3-methoxy-propanamide CAS Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-3-methoxy-N-(phenylmethyl)propanamide IUPAC Name: N-[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl]-N-benzyl-3-methoxypropanamide Traditional Name: N-[3-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)propyl]-N-benzyl-3-methoxy-propionamide Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C(=O)CCOC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN(CC3=CC=CC=C3)C(=O)CCOC

InChI

InChI=1S/C23H32N6O4/c1-3-4-14-33-22-26-20(24)19-21(27-22)29(23(31)25-19)13-8-12-28(18(30)11-15-32-2)16-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,25,31)(H2,24,26,27)